Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCN2CCOCC2)c2cncc3ccccc23)cc1 |
MW: | 541.27 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 100.8 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-780445ae-1
0.682
ALP-POS-88a7a97e-47
0.648
ALP-POS-88a7a97e-11
0.535
ALP-POS-02c6a514-32
0.492
PAU-WEI-df8f33bc-1
0.492
LON-WEI-adc59df6-52
0.473
ALP-POS-02c6a514-55
0.467
LON-WEI-adc59df6-25
0.466
ALP-POS-d0876c20-12
0.465
ALP-POS-88a7a97e-22
0.452
ALP-POS-88a7a97e-35
0.451
ALP-POS-88a7a97e-14
0.446
ALP-POS-d0876c20-1
0.444
ALP-POS-88a7a97e-4
0.441
ALP-POS-88a7a97e-16
0.436
ALP-POS-d0876c20-17
0.434
ALP-POS-88a7a97e-8
0.433
ALP-POS-88a7a97e-31
0.432
ALP-POS-d9b6304e-1
0.432
ALP-POS-a2344586-2
0.432
ALP-POS-88a7a97e-26
0.431
ALP-POS-d0876c20-19
0.431
ALP-POS-88a7a97e-3
0.429
ALP-POS-88a7a97e-46
0.429
ALP-POS-88a7a97e-42
0.427
ALP-POS-88a7a97e-2
0.427
ALP-POS-88a7a97e-10
0.427
ALP-POS-88a7a97e-33
0.427
ALP-POS-88a7a97e-9
0.426
ALP-POS-88a7a97e-1
0.425
ALP-POS-d0876c20-18
0.424
ALP-POS-88a7a97e-30
0.423
ALP-POS-d0876c20-11
0.422
ALP-POS-d0876c20-6
0.420
ALP-POS-88a7a97e-34
0.420
ALP-POS-d0876c20-24
0.420
ALP-POS-d0876c20-5
0.419
ALP-POS-42f3de95-2
0.419
ALP-POS-88a7a97e-17
0.418
ALP-POS-88a7a97e-19
0.418
ALP-POS-88a7a97e-18
0.417
ALP-POS-88a7a97e-29
0.417
ALP-POS-88a7a97e-38
0.417
ALP-POS-88a7a97e-28
0.417
ALP-POS-88a7a97e-32
0.417
ALP-POS-d0876c20-14
0.416
ALP-POS-88a7a97e-27
0.416
ALP-POS-42f3de95-1
0.416
ALP-POS-d0876c20-22
0.415
ALP-POS-88a7a97e-12
0.415
ALP-POS-88a7a97e-13
0.415
ALP-POS-88a7a97e-7
0.414
ALP-POS-88a7a97e-5
0.413
ALP-POS-02c6a514-50
0.413
ALP-POS-d0876c20-20
0.412
ALP-POS-88a7a97e-45
0.412
ALP-POS-88a7a97e-48
0.411
ALP-POS-d0876c20-8
0.410
ALP-POS-d0876c20-7
0.408
ALP-POS-88a7a97e-39
0.407
ALP-POS-88a7a97e-44
0.406
ALP-POS-d0876c20-9
0.405
ALP-POS-d0876c20-21
0.402
ALP-POS-88a7a97e-49
0.397
ALP-POS-88a7a97e-15
0.397
ALP-POS-d0876c20-3
0.389
ALP-POS-d0876c20-10
0.388
ALP-POS-88a7a97e-36
0.383
ALP-POS-d0876c20-23
0.382
ALP-POS-d0876c20-4
0.381
ALP-POS-d0876c20-13
0.378
ALP-POS-88a7a97e-43
0.377
ALP-POS-88a7a97e-41
0.375
ALP-UNI-fe744232-18
0.374
ALP-POS-88a7a97e-20
0.372
ALP-POS-88a7a97e-21
0.372
ALP-POS-d0876c20-16
0.371
ALP-POS-88a7a97e-6
0.371
LON-WEI-adc59df6-22
0.371
ALP-POS-305f6ec3-11
0.371
ALP-POS-88a7a97e-25
0.368
ALP-POS-d0876c20-15
0.366
ALP-POS-95f71980-19
0.364
ALP-POS-d0876c20-2
0.363
ALP-POS-84f19ead-2
0.363
ERI-UCB-fbdd3ea1-27
0.360
ALP-POS-88a7a97e-24
0.357
ALP-POS-88a7a97e-23
0.357
ALP-POS-88a7a97e-37
0.357
ALP-POS-88a7a97e-40
0.357
ALP-POS-95f71980-36
0.356
ALP-UNI-fe744232-28
0.353
ALP-POS-42f3de95-3
0.353
ALP-POS-ced8ea4d-27
0.351
ALP-UNI-fe744232-22
0.350
ALP-POS-95f71980-38
0.345
ALP-POS-0c0a3b93-1
0.344
ALP-POS-ced8ea4d-19
0.343
ALP-UNI-fe744232-7
0.343
ALP-POS-ced8ea4d-62
0.343